SCHEMBL12193245

SCHEMBL12193245

Clc1ccccc1CN1CCC(Oc2cc(Cl)c3cnccc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.49
▸ ROCK2 O75116 5/20 0.49
▸ CCR2 P41597 2/20 0.49
▸ HRH1 P35367 2/20 0.46
▸ CCR3 P51677 2/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CXCR4 P61073 5/20 0.45
▸ SCN1A P35498 1/20 0.43
▸ SCN8A Q9UQD0 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12193253 0.89 ROCK1 (0.61) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193254 0.89 EPHX2 (0.49) ROCK1ROCK2CCR2MEN1KMT2A
SCHEMBL12192853 0.87 ROCK1 (0.59) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193269 0.86 ROCK1 (0.50) ROCK1ROCK2CCR2KCNH2SCN8A
SCHEMBL12193268 0.85 ROCK1 (0.54) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193242 0.85 ROCK1 (0.51) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193267 0.84 ROCK1 (0.50) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193244 0.84 ROCK1 (0.52) ROCK1ROCK2CCR2HRH1CCR3
SCHEMBL12193215 0.84 HRH3 (0.44) ROCK1ROCK2CCR2KCNH2ALDH1A1
SCHEMBL12193229 0.84 HRH1 (0.44) ROCK1ROCK2HRH1CCR3KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8722671-B2 Isoquinoline derivatives SANOFI (FR) 2014-05-13 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-8501736-B2 Isoquinoline derivatives SANOFI (FR) 2013-08-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20110245248-A1 ISOQUINOLINE DERIVATIVES SANOFI-AVENTIS (FR) 2011-10-06 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
US-20090088429-A1 Isoquinoline Derivatives SANOFI-AVENTIS (FR) 2009-04-02 — — US disclosed
WO-2007000240-A1 ISOQUINOLINE DERIVATIVES AS INHIBITORS OF RHO-KINASE SANOFI-AVENTIS (DE) 2007-01-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110245248-A1 ISOQUINOLINE DERIVATIVES MYLK2, MYLK, RHOT2 ROCK1 7/4885ROCK2 5/4885CCR2 2845/4885
US-20090088429-A1 Isoquinoline Derivatives MYLK2, MYLK, RHOT2 ROCK1 7/4885ROCK2 5/4885CCR2 2845/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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